Foto del docente

Tainah Dorina Marforio

Professoressa a contratto

Dipartimento di Chimica "Giacomo Ciamician"

Assegnista di ricerca

Dipartimento di Chimica "Giacomo Ciamician"


Andrea Bottoni, Matteo Calvaresi, Tainah Dorina Marforio, Edoardo Jun Mattioli, Binding and recognition mechanisms of the human tyrosylprotein sulfotransferase isoform-2 (TPST-2) towards its natural ligands. A computational investigation., in: LUIGI BOLONDI FELICITATIONS VOLUME Studies in Medicine and Its History Studi medici e di storia della medicina in onore di Luigi Bolondi, (Milano – Udine), MIMESIS, 2021, pp. 145 - 158 [capitolo di libro]

Kovtun A.; Bianchi A.; Zambianchi M.; Bettini C.; Corticelli F.; Ruani G.; Bocchi L.; Stante F.; Gazzano M.; Marforio T.D.; Calvaresi M.; Minelli M.; Navacchia M.L.; Palermo V.; Melucci M., Core-shell graphene oxide-polymer hollow fibers as water filters with enhanced performance and selectivity, «FARADAY DISCUSSIONS», 2021, 227, pp. 274 - 290 [articolo]

Khaliha S.; Marforio T.D.; Kovtun A.; Mantovani S.; Bianchi A.; Luisa Navacchia M.; Zambianchi M.; Bocchi L.; Boulanger N.; Iakunkov A.; Calvaresi M.; Talyzin A.V.; Palermo V.; Melucci M., Defective graphene nanosheets for drinking water purification: Adsorption mechanism, performance, and recovery, «FLATCHEM», 2021, 29, Article number: 100283, pp. 100283 - 100283 [articolo]

Marforio T.D.; Calza A.; Mattioli E.J.; Zerbetto F.; Calvaresi M., Dissecting the supramolecular dispersion of fullerenes by proteins/peptides: Amino acid ranking and driving forces for binding to c60, «INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES», 2021, 22, Article number: 11567, pp. 11567 - 11567 [articolo]

Gesteira T.F.; Marforio T.D.; Mueller J.W.; Calvaresi M.; Coulson-Thomas V.J., Structural Determinants of Substrate Recognition and Catalysis by Heparan Sulfate Sulfotransferases, «ACS CATALYSIS», 2021, 11, pp. 10974 - 10987 [articolo]

Acocella A.; Marforio T.D.; Calvaresi M.; Bottoni A.; Zerbetto F., Electron Dynamics with Explicit-Time Density Functional Theory of the [4+2] Diels-Alder Reaction, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2020, 16, pp. 2172 - 2180 [articolo]Open Access

Di Giosia M.; Marforio T.D.; Cantelli A.; Valle F.; Zerbetto F.; Su Q.; Wang H.; Calvaresi M., Inhibition of α-chymotrypsin by pristine single-wall carbon nanotubes: Clogging up the active site, «JOURNAL OF COLLOID AND INTERFACE SCIENCE», 2020, 571, pp. 174 - 184 [articolo]

Bottoni A.; Calvaresi M.; Marforio T.D.; Miscione G.P., A Mechanistic Insight into the Cu(II)-Catalyzed C–N and C–O Coupling Reaction of Arylglyoxylic Acids with Isatins; A DFT Investigation, «EUROPEAN JOURNAL OF ORGANIC CHEMISTRY», 2019, 2019, pp. 6776 - 6782 [articolo]

Marforio T.D.; Bottoni A.; Zerbetto F.; Calvaresi M., CNT-Catalyzed Oxidative Dehydrogenation of Ethylbenzene to Styrene: DFT Calculations Disclose the Pathways, «CHEMNANOMAT», 2019, 5, pp. 499 - 505 [articolo]

Di Giosia M.; Nicolini F.; Ferrazzano L.; Solda A.; Valle F.; Cantelli A.; Marforio T.D.; Bottoni A.; Zerbetto F.; Montalti M.; Rapino S.; Tolomelli A.; Calvaresi M., Stable and Biocompatible Monodispersion of C 60 in Water by Peptides, «BIOCONJUGATE CHEMISTRY», 2019, 30, pp. 808 - 814 [articolo]

Lara Campesato, Tainah Dorina Marforio, Pietro Giacinto, Matteo Calvaresi, Andrea Bottoni, A Full QM Computational Study of the Catalytic Mechanism of α-1,4-Glucan Lyases, «CHEMPHYSCHEM», 2018, 19, pp. 1514 - 1521 [articolo]

Marforio, Tainah Dorina; Bottoni, Andrea; Giacinto, Pietro; Zerbetto, Francesco; Calvaresi, Matteo, Aromatic Bromination of N-Phenylacetamide Inside CNTs. Are CNTs Real Nanoreactors Controlling Regioselectivity and Kinetics? A QM/MM Investigation, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2017, 121, pp. 27674 - 27682 [articolo]

Trozzi, Francesco; Marforio, Tainah Dorina; Bottoni, Andrea; Zerbetto, Francesco; Calvaresi, Matteo, Engineering the Fullerene-protein Interface by Computational Design: The Sum is More than its Parts, «ISRAEL JOURNAL OF CHEMISTRY», 2017, 57, pp. 547 - 552 [articolo]Open Access

Marforio, Tainah Dorina; Bottoni, Andrea; Calvaresi, Matteo; Fabbri, Daniele; Giacinto, Pietro; Zerbetto, Francesco, The Reaction Pathway of Cellulose Pyrolysis to a Multifunctional Chiral Building Block: The Role of Water Unveiled by a DFT Computational Investigation, «CHEMPHYSCHEM», 2016, 17, pp. 3948 - 3953 [articolo]

Marforio, T.D.; Giacinto, P.; Bottoni, A.; Calvaresi, M., Computational Evidence for the Catalytic Mechanism of Tyrosylprotein Sulfotransferases: A Density Functional Theory Investigation, «BIOCHEMISTRY», 2015, 54, pp. 4404 - 4410 [articolo]